Single-Wall Carbon Nanotube Growth from Graphite Layers-a Tight Binding Molecular Dynamics Simulatio

• 出 处: Journal of Materials Science & Technology
• 发表日期: 2003年06期
• 关键词: nanotube graphite tight zigzag defects SWCNTs closing amorphous possibility inwa

The growth of single-wall carbon nanotube from graphite layers is studied by tight binding molecular dynamics simulation. Given temperature of 2500 K or 3500 K and an interval of 0.25 nm for the two layers of graphite, a single-wall carbon nanotube with a zigzag shell will be produced. On the other conditions the carbon nanotube cannot grow or grows with too many defects. All carbon nanotube ends have pentagons which play an important role during the tube ends closing.

The growth of single-wall carbon nanotube from graphite layers is studied by tight binding molecular dynamics simulation. Given temperature of 2500 K or 3500 K and an interval of 0.25 nm for the two layers of graphite, a single-wall carbon nanotube with a zigzag On the other conditions the carbon nanotube can not grow or grows with too many defects. all carbon nanotube ends have pentagons which play an important role during the tube ends closing.